Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy"

Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy"

Data here represents raw computational and experimental data for the following work:
ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium ‘chains’. They preserve inversion symmetry independent of the number of layers and, in contrast to more well-known transition metal dichalcogenides, bulk and few-monolayer Re-TMD compounds have been proposed to behave as electronically and vibrational decoupled layers. Here, we probe for the first time the electronic band structure of bulk ReSe2 by direct nanoscale angle-resolved photoemission spectroscopy. We find a highly anisotropic in- and out-of-plane electronic structure, with the valence band maxima located away from any particular high-symmetry direction. The effective mass doubles its value perpendicular to the Re chains and the interlayer van der Waals coupling generates significant electronic dispersion normal to the layers. Our density functional theory calculations, including spin-orbit effects, are in excellent agreement with these experimental findings.

Quantum Espresso (QE) input files for calculation of ReSe2 valence band structure from which simulated Fermi surface maps can be plotted. Raw output of the calculation is included in the standard QE format (see QE documentation). The data generated was used to make the Fermi surface section in Figure 2 of the associated paper via the commercial Origin package.

Quantum Espresso (QE) input files for calculation of ReSe2 valence band dispersion in the specific directions in reciprocal space discussed in the associated paper. The data generated was used in Figures 3 and 4 of the associated paper and was plotted using the commercial Origin package.

Quantum Espresso (QE) input files for calculation of ReSe2 valence band structure over the whole volume of the Brillouin zone, from which the three dimensional Fermi surface can be plotted. Raw output of the calculation is included in the standard QE format (see QE documentation). The data generated was used in Figure 5 of the associated paper and was plotted using the commercial Matlab package.

Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4.

Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4.

Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4.

Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figure 5.